2681-3538 Screening compound: (2Z)-N-(5-chloro-2-methoxyphenyl)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

2681-3538 Screening compound: (2Z)-N-(5-chloro-2-methoxyphenyl)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide
2681-3538 Screening compound: (2Z)-N-(5-chloro-2-methoxyphenyl)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2681-3538
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2681-3538

Molecular Formula

C23H16Cl2FN3O5 (C23 H16 Cl2 FN3 O5)

Compound Name

(2Z)-N-(5-chloro-2-methoxyphenyl)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2Z)-N-(5-chloro-2-methoxyphenyl)-2-[(2-chloro-4-fluorophenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

SMILES

COc(ccc(Cl)c1)c1NC(/C(/NC(c(ccc(F)c1)c1Cl)=O)=C/c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C23H16Cl2FN3O5/c1-34-21-8-5-14(24)11-19(21)27-23(31)20(10-13-3-2-4-16(9-13)29(32)33)28-22(30)17-7-6-15(26)12-18(17)25/h2-12H,1H3,(H,27,31)(H,28,30)

InChI Key

BJBUKYXSTQSTQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-5.77

Polar Surface Area

85.568

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2681-3538 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2681-3538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2681-3538?
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What is the minimum amount of 2681-3538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2681-3538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2681-3538
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2681-3538 available by request